Slovenian Research Agency (P2-0348)

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Slovenian Research Agency (P2-0348)

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CCDC 2009327: Experimental Crystal Structure Determination. Crystallographic data for "Synthesis, X-Ray Structures and Magnetic Properties of Ni(II) Complexes of Heteroaromatic Hydrazone"

Pevec, Andrej

(The Cambridge Crystallographic Data Centre (CCDC), 2020)

TY  - DATA
AU  - Pevec, Andrej
PY  - 2020
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/4441
AB  - CUTCEC : bis(μ-azido-N1,N1)-diazido-bis(2-oxido-N,N,N-trimethyl-2-((1-(1,3-thiazol-2-yl)ethylidene)hydrazinylidene)ethan-1-aminium)-di-nickel dihydrate Space Group: P 1 (2), Cell: a 8.7014(8)Å b 9.9706(9)Å c 11.1502(10)Å, α 65.851(8)° β 81.231(8)° γ 68.810(9)°
PB  - The Cambridge Crystallographic Data Centre (CCDC)
T1  - CCDC 2009327: Experimental Crystal Structure Determination. Crystallographic data for "Synthesis, X-Ray Structures and Magnetic Properties of Ni(II) Complexes of Heteroaromatic Hydrazone"
DO  - 10.5517/ccdc.csd.cc25fw0j
ER  - 
@misc{
author = "Pevec, Andrej",
year = "2020",
abstract = "CUTCEC : bis(μ-azido-N1,N1)-diazido-bis(2-oxido-N,N,N-trimethyl-2-((1-(1,3-thiazol-2-yl)ethylidene)hydrazinylidene)ethan-1-aminium)-di-nickel dihydrate Space Group: P 1 (2), Cell: a 8.7014(8)Å b 9.9706(9)Å c 11.1502(10)Å, α 65.851(8)° β 81.231(8)° γ 68.810(9)°",
publisher = "The Cambridge Crystallographic Data Centre (CCDC)",
title = "CCDC 2009327: Experimental Crystal Structure Determination. Crystallographic data for "Synthesis, X-Ray Structures and Magnetic Properties of Ni(II) Complexes of Heteroaromatic Hydrazone"",
doi = "10.5517/ccdc.csd.cc25fw0j"
}
Pevec, A.. (2020). CCDC 2009327: Experimental Crystal Structure Determination. Crystallographic data for "Synthesis, X-Ray Structures and Magnetic Properties of Ni(II) Complexes of Heteroaromatic Hydrazone". 
The Cambridge Crystallographic Data Centre (CCDC)..
https://doi.org/10.5517/ccdc.csd.cc25fw0j
Pevec A. CCDC 2009327: Experimental Crystal Structure Determination. Crystallographic data for "Synthesis, X-Ray Structures and Magnetic Properties of Ni(II) Complexes of Heteroaromatic Hydrazone". 2020;.
doi:10.5517/ccdc.csd.cc25fw0j .
Pevec, Andrej, "CCDC 2009327: Experimental Crystal Structure Determination. Crystallographic data for "Synthesis, X-Ray Structures and Magnetic Properties of Ni(II) Complexes of Heteroaromatic Hydrazone"" (2020),
https://doi.org/10.5517/ccdc.csd.cc25fw0j . .

CCDC 2009328: Experimental Crystal Structure Determination. Crystallographic data for "Synthesis, X-Ray Structures and Magnetic Properties of Ni(II) Complexes of Heteroaromatic Hydrazone"

Pevec, Andrej

(The Cambridge Crystallographic Data Centre (CCDC), 2020)

TY  - DATA
AU  - Pevec, Andrej
PY  - 2020
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/4440
AB  - CUTBUR : bis(μ-azido-N1,N1)-diazido-bis(2-oxido-N,N,N-trimethyl-2-((1-(1,3-thiazol-2-yl)ethylidene)hydrazinylidene)ethan-1-aminium)-di-nickel tetrahydrate Space Group: P 21/c (14), Cell: a 13.2446(7)Å b 11.0402(6)Å c 12.3962(6)Å, α 90° β 99.765(5)° γ 90°
PB  - The Cambridge Crystallographic Data Centre (CCDC)
T1  - CCDC 2009328: Experimental Crystal Structure Determination. Crystallographic data for "Synthesis, X-Ray Structures and Magnetic Properties of Ni(II) Complexes of Heteroaromatic Hydrazone"
DO  - 10.5517/ccdc.csd.cc25fw1k
ER  - 
@misc{
author = "Pevec, Andrej",
year = "2020",
abstract = "CUTBUR : bis(μ-azido-N1,N1)-diazido-bis(2-oxido-N,N,N-trimethyl-2-((1-(1,3-thiazol-2-yl)ethylidene)hydrazinylidene)ethan-1-aminium)-di-nickel tetrahydrate Space Group: P 21/c (14), Cell: a 13.2446(7)Å b 11.0402(6)Å c 12.3962(6)Å, α 90° β 99.765(5)° γ 90°",
publisher = "The Cambridge Crystallographic Data Centre (CCDC)",
title = "CCDC 2009328: Experimental Crystal Structure Determination. Crystallographic data for "Synthesis, X-Ray Structures and Magnetic Properties of Ni(II) Complexes of Heteroaromatic Hydrazone"",
doi = "10.5517/ccdc.csd.cc25fw1k"
}
Pevec, A.. (2020). CCDC 2009328: Experimental Crystal Structure Determination. Crystallographic data for "Synthesis, X-Ray Structures and Magnetic Properties of Ni(II) Complexes of Heteroaromatic Hydrazone". 
The Cambridge Crystallographic Data Centre (CCDC)..
https://doi.org/10.5517/ccdc.csd.cc25fw1k
Pevec A. CCDC 2009328: Experimental Crystal Structure Determination. Crystallographic data for "Synthesis, X-Ray Structures and Magnetic Properties of Ni(II) Complexes of Heteroaromatic Hydrazone". 2020;.
doi:10.5517/ccdc.csd.cc25fw1k .
Pevec, Andrej, "CCDC 2009328: Experimental Crystal Structure Determination. Crystallographic data for "Synthesis, X-Ray Structures and Magnetic Properties of Ni(II) Complexes of Heteroaromatic Hydrazone"" (2020),
https://doi.org/10.5517/ccdc.csd.cc25fw1k . .

Supporting information for: "Synthesis, X-ray structures and magnetic properties of Ni(II) complexes of heteroaromatic hydrazone"

Keškić, Tanja; Jagličić, Zvonko; Pevec, Andrej; Čobeljić, Božidar; Radanović, Dušanka; Gruden, Maja; Turel, Iztok; Anđelković, Katarina; Brčeski, Ilija; Zlatar, Matija

(Elsevier, 2020)

TY  - DATA
AU  - Keškić, Tanja
AU  - Jagličić, Zvonko
AU  - Pevec, Andrej
AU  - Čobeljić, Božidar
AU  - Radanović, Dušanka
AU  - Gruden, Maja
AU  - Turel, Iztok
AU  - Anđelković, Katarina
AU  - Brčeski, Ilija
AU  - Zlatar, Matija
PY  - 2020
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/4439
AB  - Table S1. Structural and magnetic parameters of related bis(μ-1,1-azido) bridged Ni(II) complexes. Table S2. Hydrogen-bond parameters for complex 1a. Table S3. Hydrogen-bond parameters for complex 1b. Figure S1. Crystal packing of 1a showing a) the dimers of 1a self-assembled within a layer parallel with the (001) lattice plane (view along c axis) and b) the role of solvent water molecule (side view). Figure S2. Crystal packing of 1b showing dimeric units connected by heterodromic water cycles. a) View along b axis. b) View along c axis. Table S4. Calculated Mulliken Ni(II) spin population values in the ferromagnetic states for 19 Ni(II) binuclear complexes with different DFAs. Figure S3. Model systems based on crystal structure of 1a Figure S4. Model systems based on crystal structure of 1b Table S5. Energy Decomposition Analysis at BP86-D4/TZP level of theory of bonding between monomeric structures of 1a and 1b with H2O Figure S5. Most important density deformation channels from EDA–NOCV analysis of the interaction of monomeric structures of 1a and 1b with H2O.
PB  - Elsevier
T2  - Polyhedron
T1  - Supporting information for: "Synthesis, X-ray structures and magnetic properties of Ni(II) complexes of heteroaromatic hydrazone"
UR  - https://hdl.handle.net/21.15107/rcub_cer_4439
ER  - 
@misc{
author = "Keškić, Tanja and Jagličić, Zvonko and Pevec, Andrej and Čobeljić, Božidar and Radanović, Dušanka and Gruden, Maja and Turel, Iztok and Anđelković, Katarina and Brčeski, Ilija and Zlatar, Matija",
year = "2020",
abstract = "Table S1. Structural and magnetic parameters of related bis(μ-1,1-azido) bridged Ni(II) complexes. Table S2. Hydrogen-bond parameters for complex 1a. Table S3. Hydrogen-bond parameters for complex 1b. Figure S1. Crystal packing of 1a showing a) the dimers of 1a self-assembled within a layer parallel with the (001) lattice plane (view along c axis) and b) the role of solvent water molecule (side view). Figure S2. Crystal packing of 1b showing dimeric units connected by heterodromic water cycles. a) View along b axis. b) View along c axis. Table S4. Calculated Mulliken Ni(II) spin population values in the ferromagnetic states for 19 Ni(II) binuclear complexes with different DFAs. Figure S3. Model systems based on crystal structure of 1a Figure S4. Model systems based on crystal structure of 1b Table S5. Energy Decomposition Analysis at BP86-D4/TZP level of theory of bonding between monomeric structures of 1a and 1b with H2O Figure S5. Most important density deformation channels from EDA–NOCV analysis of the interaction of monomeric structures of 1a and 1b with H2O.",
publisher = "Elsevier",
journal = "Polyhedron",
title = "Supporting information for: "Synthesis, X-ray structures and magnetic properties of Ni(II) complexes of heteroaromatic hydrazone"",
url = "https://hdl.handle.net/21.15107/rcub_cer_4439"
}
Keškić, T., Jagličić, Z., Pevec, A., Čobeljić, B., Radanović, D., Gruden, M., Turel, I., Anđelković, K., Brčeski, I.,& Zlatar, M.. (2020). Supporting information for: "Synthesis, X-ray structures and magnetic properties of Ni(II) complexes of heteroaromatic hydrazone". in Polyhedron
Elsevier..
https://hdl.handle.net/21.15107/rcub_cer_4439
Keškić T, Jagličić Z, Pevec A, Čobeljić B, Radanović D, Gruden M, Turel I, Anđelković K, Brčeski I, Zlatar M. Supporting information for: "Synthesis, X-ray structures and magnetic properties of Ni(II) complexes of heteroaromatic hydrazone". in Polyhedron. 2020;.
https://hdl.handle.net/21.15107/rcub_cer_4439 .
Keškić, Tanja, Jagličić, Zvonko, Pevec, Andrej, Čobeljić, Božidar, Radanović, Dušanka, Gruden, Maja, Turel, Iztok, Anđelković, Katarina, Brčeski, Ilija, Zlatar, Matija, "Supporting information for: "Synthesis, X-ray structures and magnetic properties of Ni(II) complexes of heteroaromatic hydrazone"" in Polyhedron (2020),
https://hdl.handle.net/21.15107/rcub_cer_4439 .

Synthesis, X-ray structures and magnetic properties of Ni(II) complexes of heteroaromatic hydrazone

Keškić, Tanja; Jagličić, Zvonko; Pevec, Andrej; Čobeljić, Božidar; Radanović, Dušanka; Gruden, Maja; Turel, Iztok; Anđelković, Katarina; Brčeski, Ilija; Zlatar, Matija

(Elsevier, 2020)

TY  - JOUR
AU  - Keškić, Tanja
AU  - Jagličić, Zvonko
AU  - Pevec, Andrej
AU  - Čobeljić, Božidar
AU  - Radanović, Dušanka
AU  - Gruden, Maja
AU  - Turel, Iztok
AU  - Anđelković, Katarina
AU  - Brčeski, Ilija
AU  - Zlatar, Matija
PY  - 2020
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/3685
AB  - Two binuclear double end-on azido bridged Ni(II) complexes, [Ni2L2(μ-1,1-N3)2(N3)2]⋅2H2O (1a), and [Ni2L2(μ-1,1-N3)2(N3)2]⋅4H2O (1b) having the same inner sphere, where L=((E)-N,N,N-trimethyl-2-oxo-2-(2-(1-(thiazol-2-yl)ethylidene)hydrazinyl)ethan-1-aminium, were synthesized from the same solution and characterized by single-crystal X-ray diffraction methods. Variable‐temperature magnetic susceptibility measurements showed intra-dimer ferromagnetic coupling between Ni(II) ions. The ferromagnetic coupling is supported by the broken-symmetry DFT calculations, with the level of theory chosen based on a benchmark study on 19 additional structurally related binuclear Ni(II) complexes. The role of water molecules in crystals of 1a and 1b is explained by DFT based energy decomposition analysis.
PB  - Elsevier
T2  - Polyhedron
T1  - Synthesis, X-ray structures and magnetic properties of Ni(II) complexes of heteroaromatic hydrazone
VL  - 191
SP  - 114802
DO  - 10.1016/j.poly.2020.114802
ER  - 
@article{
author = "Keškić, Tanja and Jagličić, Zvonko and Pevec, Andrej and Čobeljić, Božidar and Radanović, Dušanka and Gruden, Maja and Turel, Iztok and Anđelković, Katarina and Brčeski, Ilija and Zlatar, Matija",
year = "2020",
abstract = "Two binuclear double end-on azido bridged Ni(II) complexes, [Ni2L2(μ-1,1-N3)2(N3)2]⋅2H2O (1a), and [Ni2L2(μ-1,1-N3)2(N3)2]⋅4H2O (1b) having the same inner sphere, where L=((E)-N,N,N-trimethyl-2-oxo-2-(2-(1-(thiazol-2-yl)ethylidene)hydrazinyl)ethan-1-aminium, were synthesized from the same solution and characterized by single-crystal X-ray diffraction methods. Variable‐temperature magnetic susceptibility measurements showed intra-dimer ferromagnetic coupling between Ni(II) ions. The ferromagnetic coupling is supported by the broken-symmetry DFT calculations, with the level of theory chosen based on a benchmark study on 19 additional structurally related binuclear Ni(II) complexes. The role of water molecules in crystals of 1a and 1b is explained by DFT based energy decomposition analysis.",
publisher = "Elsevier",
journal = "Polyhedron",
title = "Synthesis, X-ray structures and magnetic properties of Ni(II) complexes of heteroaromatic hydrazone",
volume = "191",
pages = "114802",
doi = "10.1016/j.poly.2020.114802"
}
Keškić, T., Jagličić, Z., Pevec, A., Čobeljić, B., Radanović, D., Gruden, M., Turel, I., Anđelković, K., Brčeski, I.,& Zlatar, M.. (2020). Synthesis, X-ray structures and magnetic properties of Ni(II) complexes of heteroaromatic hydrazone. in Polyhedron
Elsevier., 191, 114802.
https://doi.org/10.1016/j.poly.2020.114802
Keškić T, Jagličić Z, Pevec A, Čobeljić B, Radanović D, Gruden M, Turel I, Anđelković K, Brčeski I, Zlatar M. Synthesis, X-ray structures and magnetic properties of Ni(II) complexes of heteroaromatic hydrazone. in Polyhedron. 2020;191:114802.
doi:10.1016/j.poly.2020.114802 .
Keškić, Tanja, Jagličić, Zvonko, Pevec, Andrej, Čobeljić, Božidar, Radanović, Dušanka, Gruden, Maja, Turel, Iztok, Anđelković, Katarina, Brčeski, Ilija, Zlatar, Matija, "Synthesis, X-ray structures and magnetic properties of Ni(II) complexes of heteroaromatic hydrazone" in Polyhedron, 191 (2020):114802,
https://doi.org/10.1016/j.poly.2020.114802 . .
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Synthesis, X-ray structures and magnetic properties of Ni(II) complexes of heteroaromatic hydrazone

Keškić, Tanja; Jagličić, Zvonko; Pevec, Andrej; Čobeljić, Božidar; Radanović, Dušanka; Gruden, Maja; Turel, Iztok; Anđelković, Katarina; Brčeski, Ilija; Zlatar, Matija

(Elsevier, 2020)

TY  - JOUR
AU  - Keškić, Tanja
AU  - Jagličić, Zvonko
AU  - Pevec, Andrej
AU  - Čobeljić, Božidar
AU  - Radanović, Dušanka
AU  - Gruden, Maja
AU  - Turel, Iztok
AU  - Anđelković, Katarina
AU  - Brčeski, Ilija
AU  - Zlatar, Matija
PY  - 2020
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/3684
AB  - Two binuclear double end-on azido bridged Ni(II) complexes, [Ni2L2(μ-1,1-N3)2(N3)2]⋅2H2O (1a), and [Ni2L2(μ-1,1-N3)2(N3)2]⋅4H2O (1b) having the same inner sphere, where L=((E)-N,N,N-trimethyl-2-oxo-2-(2-(1-(thiazol-2-yl)ethylidene)hydrazinyl)ethan-1-aminium, were synthesized from the same solution and characterized by single-crystal X-ray diffraction methods. Variable‐temperature magnetic susceptibility measurements showed intra-dimer ferromagnetic coupling between Ni(II) ions. The ferromagnetic coupling is supported by the broken-symmetry DFT calculations, with the level of theory chosen based on a benchmark study on 19 additional structurally related binuclear Ni(II) complexes. The role of water molecules in crystals of 1a and 1b is explained by DFT based energy decomposition analysis.
PB  - Elsevier
T2  - Polyhedron
T1  - Synthesis, X-ray structures and magnetic properties of Ni(II) complexes of heteroaromatic hydrazone
VL  - 191
SP  - 114802
DO  - 10.1016/j.poly.2020.114802
ER  - 
@article{
author = "Keškić, Tanja and Jagličić, Zvonko and Pevec, Andrej and Čobeljić, Božidar and Radanović, Dušanka and Gruden, Maja and Turel, Iztok and Anđelković, Katarina and Brčeski, Ilija and Zlatar, Matija",
year = "2020",
abstract = "Two binuclear double end-on azido bridged Ni(II) complexes, [Ni2L2(μ-1,1-N3)2(N3)2]⋅2H2O (1a), and [Ni2L2(μ-1,1-N3)2(N3)2]⋅4H2O (1b) having the same inner sphere, where L=((E)-N,N,N-trimethyl-2-oxo-2-(2-(1-(thiazol-2-yl)ethylidene)hydrazinyl)ethan-1-aminium, were synthesized from the same solution and characterized by single-crystal X-ray diffraction methods. Variable‐temperature magnetic susceptibility measurements showed intra-dimer ferromagnetic coupling between Ni(II) ions. The ferromagnetic coupling is supported by the broken-symmetry DFT calculations, with the level of theory chosen based on a benchmark study on 19 additional structurally related binuclear Ni(II) complexes. The role of water molecules in crystals of 1a and 1b is explained by DFT based energy decomposition analysis.",
publisher = "Elsevier",
journal = "Polyhedron",
title = "Synthesis, X-ray structures and magnetic properties of Ni(II) complexes of heteroaromatic hydrazone",
volume = "191",
pages = "114802",
doi = "10.1016/j.poly.2020.114802"
}
Keškić, T., Jagličić, Z., Pevec, A., Čobeljić, B., Radanović, D., Gruden, M., Turel, I., Anđelković, K., Brčeski, I.,& Zlatar, M.. (2020). Synthesis, X-ray structures and magnetic properties of Ni(II) complexes of heteroaromatic hydrazone. in Polyhedron
Elsevier., 191, 114802.
https://doi.org/10.1016/j.poly.2020.114802
Keškić T, Jagličić Z, Pevec A, Čobeljić B, Radanović D, Gruden M, Turel I, Anđelković K, Brčeski I, Zlatar M. Synthesis, X-ray structures and magnetic properties of Ni(II) complexes of heteroaromatic hydrazone. in Polyhedron. 2020;191:114802.
doi:10.1016/j.poly.2020.114802 .
Keškić, Tanja, Jagličić, Zvonko, Pevec, Andrej, Čobeljić, Božidar, Radanović, Dušanka, Gruden, Maja, Turel, Iztok, Anđelković, Katarina, Brčeski, Ilija, Zlatar, Matija, "Synthesis, X-ray structures and magnetic properties of Ni(II) complexes of heteroaromatic hydrazone" in Polyhedron, 191 (2020):114802,
https://doi.org/10.1016/j.poly.2020.114802 . .
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